ChemSpider 2D Image | 2-Methyl-2-propanyl (3S)-3-{[N-(1,3-benzoxazol-2-yl)-4-methyl-L-leucyl]amino}-4-(5-fluoro-2,3-dihydro-1H-indol-1-yl)butanoate | C30H39FN4O4

2-Methyl-2-propanyl (3S)-3-{[N-(1,3-benzoxazol-2-yl)-4-methyl-L-leucyl]amino}-4-(5-fluoro-2,3-dihydro-1H-indol-1-yl)butanoate

  • Molecular FormulaC30H39FN4O4
  • Average mass538.654 Da
  • Monoisotopic mass538.295532 Da
  • ChemSpider ID9343761

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(3S)-3-{[N-(1,3-Benzoxazol-2-yl)-4-méthyl-L-leucyl]amino}-4-(5-fluoro-2,3-dihydro-1H-indol-1-yl)butanoate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
1H-Indole-1-butanoic acid, β-[[(2S)-2-(2-benzoxazolylamino)-4,4-dimethyl-1-oxopentyl]amino]-5-fluoro-2,3-dihydro-, 1,1-dimethylethyl ester, (βS)- [ACD/Index Name]
2-Methyl-2-propanyl (3S)-3-{[N-(1,3-benzoxazol-2-yl)-4-methyl-L-leucyl]amino}-4-(5-fluoro-2,3-dihydro-1H-indol-1-yl)butanoate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(3S)-3-{[N-(1,3-benzoxazol-2-yl)-4-methyl-L-leucyl]amino}-4-(5-fluor-2,3-dihydro-1H-indol-1-yl)butanoat [German] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.579
Molar Refractivity: 149.6±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 6.49
ACD/LogD (pH 5.5): 5.76
ACD/BCF (pH 5.5): 12034.95
ACD/KOC (pH 5.5): 24302.29
ACD/LogD (pH 7.4): 6.02
ACD/BCF (pH 7.4): 22166.64
ACD/KOC (pH 7.4): 44761.30
Polar Surface Area: 97 Å2
Polarizability: 59.3±0.5 10-24cm3
Surface Tension: 49.2±3.0 dyne/cm
Molar Volume: 450.2±3.0 cm3

Click to predict properties on the Chemicalize site


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